>compound 4-Nitrophenol_4-Nitrophenol
#instrument UPLC Q-Tof Premier, Waters
>formula C6H5NO3
#smiles Oc(c1)ccc(c1)[N+1]([O-1])=O
#RECORD LC-ESI-QTOF_train_data/PR100192.txt;LC-ESI-QTOF_train_data/PR100598.txt
>charge 1
>ionization [M+H]+
>parentmass 140.03474

>collision 5-60
93.0356 5.051
98.9637 50.94
99.5112 5.211
123.0336 10.82
140.0347 3.674

>collision 5-60
92.0285 231.4
108.0228 2249.0
138.0191 3925.0
138.3134 376.9

